N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide

C15H23FN2O — CID 115272555

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide
SMILESCc1cc(CC(=O)N(C)CC(C)(C)CN)ccc1F
InChIInChI=1S/C15H23FN2O/c1-11-7-12(5-6-13(11)16)8-14(19)18(4)10-15(2,3)9-17/h5-7H,8-10,17H2,1-4H3
InChIKeyHMQYFGGFAFGFLN-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.12
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide (PubChem CID 115272555) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide
PubChem CID115272555
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide
SMILESCc1cc(CC(=O)N(C)CC(C)(C)CN)ccc1F
InChIInChI=1S/C15H23FN2O/c1-11-7-12(5-6-13(11)16)8-14(19)18(4)10-15(2,3)9-17/h5-7H,8-10,17H2,1-4H3
InChIKeyHMQYFGGFAFGFLN-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79648191
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-benzodioxol-5-yl)-N-methylacetamide
CID 119654330
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
CID 79652403
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-3-ylacetamide
CID 79652303
N-(3-amino-2,2-dimethylpropyl)-3-(4-chlorophenyl)-N-methylpropanamide;hydrochloride
CID 119653075
N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 119652327
N-(3-amino-2,2-dimethylpropyl)-2-(5-chloro-2-methoxyphenyl)-N-methylacetamide
CID 119652426
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
CID 119652375
N-[(4-fluoro-3-methylphenyl)methyl]-N,2,2-trimethylbutane-1,4-diamine
CID 115204487
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride
CID 119655363
N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 119652946

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide (CID 115272555) is N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide is Cc1cc(CC(=O)N(C)CC(C)(C)CN)ccc1F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide?
The InChIKey is HMQYFGGFAFGFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11-7-12(5-6-13(11)16)8-14(19)18(4)10-15(2,3)9-17/h5-7H,8-10,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide has a molecular weight of 266.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 115272555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).